SCHEMBL8545884

SCHEMBL8545884

COc1c(Br)cc(OC)c2c1c(=O)c1c(Br)ccc3c(CBr)nn2c31

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.31
▸ NQO2 P16083 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8546834 0.89 NQO2 (0.32) NQO2
SCHEMBL8547162 0.86 CYP19A1 (0.34) CYP19A1NQO2
SCHEMBL9024132 0.80 ALDH1A1 (0.33) —
SCHEMBL8539652 0.77 ERO1A (0.33) —
SCHEMBL8547454 0.76 SMN1; SMN2 (0.30) —
SCHEMBL8548375 0.75 NQO2 (0.40) NQO2
SCHEMBL8539725 0.75 NQO2 (0.33) NQO2
SCHEMBL8543409 0.74 NQO2 (0.43) NQO2
SCHEMBL8546612 0.74 HTR2A (0.32) —
SCHEMBL9023606 0.71 ALDH1A1 (0.34) NQO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487097-B1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO KK (JP) 1998-10-14 — — EP disclosed
Send feedback